2-cyclobutyl-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide

C14H17FN2O2 — CID 155598513

IUPAC2-cyclobutyl-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
SMILESO=C(NO)c1cc(F)c2c(c1)CCN(C1CCC1)C2
InChIInChI=1S/C14H17FN2O2/c15-13-7-10(14(18)16-19)6-9-4-5-17(8-12(9)13)11-2-1-3-11/h6-7,11,19H,1-5,8H2,(H,16,18)
InChIKeyTWIFZMHPHFCCOU-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.86
Rot. Bonds2

About 2-cyclobutyl-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide

2-cyclobutyl-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide (PubChem CID 155598513) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-cyclobutyl-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
PubChem CID155598513
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-cyclobutyl-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
SMILESO=C(NO)c1cc(F)c2c(c1)CCN(C1CCC1)C2
InChIInChI=1S/C14H17FN2O2/c15-13-7-10(14(18)16-19)6-9-4-5-17(8-12(9)13)11-2-1-3-11/h6-7,11,19H,1-5,8H2,(H,16,18)
InChIKeyTWIFZMHPHFCCOU-UHFFFAOYSA-N
XLogP1.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-[(E)-2-(4-methylphenyl)-3-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 60168030
2-[(E)-2,3-diphenylprop-2-enoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 60198453
2-[(E)-3-(4-fluorophenyl)-2-(4-methylphenyl)prop-2-enoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 60198519
2-[(E)-3-(2,4-difluorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 71449487
3-fluoro-N-hydroxy-5-[[(3S)-2-methyl-2-azaspiro[5.5]undecan-3-yl]methyl]benzamide
CID 155598289
2-benzyl-N-hydroxy-3-methyl-1,4-dihydrophthalazine-6-carboxamide
CID 155598311
2-(2,2-dimethylpropanoyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 49855444
2-(cyclohexanecarbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 58147140
2-(cycloheptanecarbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 58147195
4-[3-[6-[[[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]amino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-N-hydroxybenzamide
CID 162648144
2-(4-((2-(4-fluorophenyl)cyclopropyl)amino)butanoyl)-N-hydroxy-1,2,3,4-tetrahydroisoquinoline-7-carboxamide TFA Salt
CID 132116907
2-(2-((2-(4-fluorophenyl)cyclopropyl)amino)acetyl)-N-hydroxy-1,2,3,4-tetrahydroisoquinoline-7-carboxamide TFA Salt
CID 132118222

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The IUPAC name of 2-cyclobutyl-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide (CID 155598513) is 2-cyclobutyl-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide.
What is the SMILES notation for 2-cyclobutyl-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The canonical SMILES for 2-cyclobutyl-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide is O=C(NO)c1cc(F)c2c(c1)CCN(C1CCC1)C2.
What is the InChIKey of 2-cyclobutyl-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The InChIKey is TWIFZMHPHFCCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-13-7-10(14(18)16-19)6-9-4-5-17(8-12(9)13)11-2-1-3-11/h6-7,11,19H,1-5,8H2,(H,16,18).
What are the key properties of 2-cyclobutyl-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide?
2-cyclobutyl-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide is sourced from PubChem (CID 155598513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).